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remove transitive dependencies
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pyproject.toml

Lines changed: 1 addition & 16 deletions
Original file line numberDiff line numberDiff line change
@@ -13,44 +13,29 @@ readme = "README.md"
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license = { text = "AGPL-3.0" }
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requires-python = ">=3.9,<3.13"
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dependencies = [
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"certifi",
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"idna",
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"joblib",
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"networkx",
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"numpy",
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"pandas",
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"python-dateutil",
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"pytz",
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"requests",
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"scikit-learn",
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"scipy",
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"six",
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"threadpoolctl",
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"torch",
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"typing-extensions",
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"urllib3",
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"transformers",
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"fastobo",
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"pysmiles==1.1.2",
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"scikit-network",
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"svgutils",
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"matplotlib",
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"rdkit",
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"selfies",
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"lightning>=2.5",
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"jsonargparse[signatures]>=4.17",
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"omegaconf",
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"seaborn",
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"deepsmiles",
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"iterative-stratification",
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"wandb",
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"chardet",
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"pyyaml",
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"torchmetrics"
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]
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[project.optional-dependencies]
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dev = ["black", "isort", "pre-commit"]
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dev = ["black", "isort", "pre-commit", "matplotlib", "seaborn"]
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[tool.setuptools]
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include-package-data = true

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